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/*
A* -------------------------------------------------------------------
B* This file contains source code for the PyMOL computer program
C* copyright 1998-2000 by Warren Lyford Delano of DeLano Scientific.
D* -------------------------------------------------------------------
E* It is unlawful to modify or remove this copyright notice.
F* -------------------------------------------------------------------
G* Please see the accompanying LICENSE file for further information.
H* -------------------------------------------------------------------
I* Additional authors of this source file include:
-*
-*
-*
Z* -------------------------------------------------------------------
*/
#ifndef _H_Sculpt
#define _H_Sculpt
#include"Shaker.h"
#include"vla.h"
#include <memory>
#define cSculptBond 0x001
#define cSculptAngl 0x002
#define cSculptPyra 0x004
#define cSculptPlan 0x008
#define cSculptLine 0x010
#define cSculptVDW 0x020
#define cSculptVDW14 0x040
#define cSculptTors 0x080
#define cSculptTri 0x100
#define cSculptMin 0x200
#define cSculptMax 0x400
#define cSculptAvoid 0x800
struct CSculpt {
PyMOLGlobals *G;
std::unique_ptr<CShaker> Shaker;
ObjectMolecule *Obj;
std::vector<int> NBHash;
pymol::vla<int> NBList;
std::vector<int> EXHash;
pymol::vla<int> EXList;
pymol::vla<int> Don;
pymol::vla<int> Acc;
float inverse[256];
CSculpt(PyMOLGlobals * G);
};
struct ObjectMolecule;
void SculptMeasureObject(CSculpt * I, ObjectMolecule * obj, int state, int match_state,
int match_by_segment);
float SculptIterateObject(CSculpt * I, ObjectMolecule * obj, int state, int n_cycle,
float *center);
#endif
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